SCHEMBL14743309

SCHEMBL14743309

C=C(C)C(=O)OC.CC/C(O)=C(/C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.36
EGLN1 Q9GZT9 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methacrylic Acid SCHEMBL3469197 0.83 TDP1 (0.36) ALDH1A1THRB
SCHEMBL28674942 0.81 ALDH1A1 (0.54) ALDH1A1TSHRTHRB
Propionic Acid SCHEMBL27991669 0.81 ALDH1A1 (0.71) ALDH1A1TSHRTHRBEGLN1
SCHEMBL667786 0.80 ALDH1A1 (0.62) ALDH1A1TSHRTHRBEGLN1
Butanone SCHEMBL9514626 0.79 ALDH1A1 (0.75) ALDH1A1TSHRTHRBEGLN1
SCHEMBL21384986 0.79 ALDH1A1 (0.40) ALDH1A1TSHREGLN1
SCHEMBL11145994 0.79 ALDH1A1 (0.40) ALDH1A1TSHREGLN1
Propane SCHEMBL23527365 0.79 ALDH1A1 (0.83) ALDH1A1TSHRTHRBEGLN1
Methacrylic Acid SCHEMBL8375014 0.79 ALDH1A1 (0.83) ALDH1A1TSHRTHRBEGLN1
Propane SCHEMBL6470806 0.79 ALDH1A1 (0.83) ALDH1A1TSHRTHRBEGLN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140341975-A1 PATHOGEN AND SUBSTANCE TRAPS VICOY NANOMEDICINES LTD (IL) 2014-11-20 US disclosed
EP-2747786-A2 PATHOGEN AND SUBSTANCE TRAPS Vecoy Nanomedicines Ltd. (IL) 2014-07-02 EP disclosed
WO-2013030831-A2 PATHOGEN AND SUBSTANCE TRAPS VECOY NANOMEDICINES LTD. (IL) 2013-03-07 WO disclosed